IMIQUIMOD

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D06BB10
UNII P1QW714R7M
EPA CompTox DTXSID7041047

Structure

InChI Key DOUYETYNHWVLEO-UHFFFAOYSA-N
Smiles CC(C)Cn1cnc2c(N)nc3ccccc3c21
InChI
InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16N4
Molecular Weight 240.31
AlogP 2.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 56.73
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Toll-like receptor 7 agonist AGONIST FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 646 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 646 - - -

Target Conservation

Protein: Toll-like receptor 7
Description: Toll-like receptor 7
Organism : Homo sapiens
Q9NYK1 ENSG00000196664

Related Entries

Cross References

Resources Reference
ChEBI 36704
ChEMBL CHEMBL1282
DrugBank DB00724
DrugCentral 1429
FDA SRS P1QW714R7M
Human Metabolome Database HMDB0014862
Guide to Pharmacology 5003
KEGG D02500
PDB 6T0
PharmGKB PA449972
PubChem 57469
SureChEMBL SCHEMBL26136
ZINC ZINC000019632912
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